SCHEMBL6799707

SCHEMBL6799707

O[C@H]1CCN(CCc2ccc(Cl)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
SPHK1 Q9NYA1 1/20 0.52
HRH3 Q9Y5N1 2/20 0.50
KMT2A Q03164 1/20 0.49
CCR5 P51681 1/20 0.48
KCNH2 Q12809 1/20 0.47
LTA4H P09960 1/20 0.47
MAOB P27338 1/20 0.44
AVPR1B P47901 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6799712 1.00 L3MBTL1 (0.55) L3MBTL1SPHK1HRH3KMT2ACCR5
SCHEMBL6423692 0.83 ACHE (0.60) LTA4H
SCHEMBL5534146 0.83 ACHE (0.60) LTA4H
SCHEMBL5537485 0.83 ACHE (0.60) LTA4H
SCHEMBL6802715 0.80 HRH3 (0.52) SPHK1HRH3KCNH2LTA4HMAOB
SCHEMBL6795798 0.80 SIGMAR1 (0.64) SPHK1HRH3LTA4HMAOB
SCHEMBL4803757 0.80 L3MBTL3 (0.56) L3MBTL1SPHK1HRH3LTA4H
SCHEMBL6807694 0.80 HRH3 (0.52) SPHK1HRH3KCNH2LTA4HMAOB
SCHEMBL6800161 0.80 SIGMAR1 (0.64) SPHK1HRH3LTA4HMAOB
SCHEMBL6795794 0.80 SIGMAR1 (0.64) SPHK1HRH3LTA4HMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1475373-A1 5,11-Dihydrodibenzo[b,e][1,4]-oxazepine derivatives as calcium channel antagonists Ajinomoto Co., Inc. (JP) 2004-11-10 EP disclosed
EP-1471060-A1 5,11-Dihydrodibenzo[b,e][1,4]-oxazepine derivatives as calcium channel antagonists Ajinomoto Co., Inc. (JP) 2004-10-27 EP disclosed
US-6528504-B2 Compounds such as (R)-5,11-dihydro-5-(1-(4-methoxyphenethyl)-piperidine-2-ylmethyl) -dibenzo(b,e)(1,4) oxazepine are useful for treating or preventing abnormal motor functions of gastrointestinal tracts, e.g., irritable bowel syndrome. AJINOMOTO CO., INC. (JP) 2003-03-04 US disclosed
US-20020099047-A1 Oxazepine derivatives and medicine containing the same AJINOMOTO CO., INC. (JP) 2002-07-25 US disclosed
EP-1142884-A1 OXAZEPINE DERIVATIVES AND DRUGS CONTAINING THE SAME Ajinomoto Co., Inc. (JP) 2001-10-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020099047-A1 Oxazepine derivatives and medicine containing the same CACNG5, GRIK5, KCNB1 L3MBTL1 3372/4885SPHK1 960/4885HRH3 250/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.